Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q14956
UPID:
GPNMB_HUMAN
Alternative names:
Hematopoietic growth factor inducible neurokinin-1 type
Alternative UPACC:
Q14956; A4D155; Q6UVX1; Q8N1A1
Background:
Transmembrane glycoprotein NMB, alternatively known as Hematopoietic growth factor inducible neurokinin-1 type, plays a crucial role in the human body. Its potential function as a melanogenic enzyme highlights its importance in pigmentation processes. The protein's involvement in primary localized cutaneous amyloidosis, particularly in its macular and lichen subtypes, underscores its significance in skin health.
Therapeutic significance:
Given its association with primary localized cutaneous amyloidosis, targeting Transmembrane glycoprotein NMB could lead to innovative treatments for this skin condition. Understanding the role of this protein could open doors to potential therapeutic strategies.